论文标题
溶质颗粒之间的溶剂介导的相互作用潜力：理论和应用
The solvent mediated interaction potential between solute particles: Theory and applications
论文作者
论文摘要
在本文中，我们开发了一种理论来计算分散在溶剂中的溶质颗粒之间的溶剂介导的相互作用势。电位是溶质颗粒的瞬时分布的功能，并且根据溶质 - 溶剂直接对相关函数和块状溶剂的密度密度相关函数表示。直接对相关函数对溶质分布的多点相关性的依赖性通过平均场近似来简化。开发了一种自我一致的方法来计算溶质颗粒，溶质 - 溶剂和溶质 - 溶质相关函数之间的有效势。阐明了溶剂波动在有效电位范围内的重要性。该理论用于计算Asakura-oosawa（AO）模型的平衡性能，用于几种溶质和溶剂密度值以及颗粒大小比的几个值。结果给出了对有效势和对相关函数的多体效应的定量描述。
In this paper we develop a theory to calculate the solvent mediated interaction potential between solute particles dispersed in a solvent. The potential is a functional of the instantaneous distribution of solute particles and is expressed in terms of the solute-solvent direct pair correlation function and the density-density correlation function of the bulk solvent. The dependence of the direct pair correlation function on multi-point correlations of the solute distribution is simplified with a mean field approximation. A self consistent approach is developed to calculate the effective potential between solute particles, the solute-solvent and the solute-solute correlation functions. The significance of the solvent fluctuations on the range of the effective potential is elucidated. The theory is applied to calculate equilibrium properties of the Asakura-Oosawa (AO) model for several values of solute and solvent densities and for several values of the particles size ratio. The results give a quantitative description of many-body effect on the effective potential and on the pair correlation functions.
